2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one

C11H19NO2 — CID 116557172

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)C1=COCCC1
InChIInChI=1S/C11H19NO2/c1-3-6-11(2,12)10(13)9-5-4-7-14-8-9/h8H,3-7,12H2,1-2H3
InChIKeyKZVWNYIUBWKFGD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one

2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one (PubChem CID 116557172) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one
PubChem CID116557172
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)C1=COCCC1
InChIInChI=1S/C11H19NO2/c1-3-6-11(2,12)10(13)9-5-4-7-14-8-9/h8H,3-7,12H2,1-2H3
InChIKeyKZVWNYIUBWKFGD-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 116566550
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 116709884
2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid
CID 115730530
3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone
CID 105127375
2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
CID 116556904
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943
2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839336
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
4-amino-2,4-dimethylhept-1-en-3-one
CID 88989754
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
CID 84717977
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one (CID 116557172) is 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)C1=COCCC1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one?
The InChIKey is KZVWNYIUBWKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-6-11(2,12)10(13)9-5-4-7-14-8-9/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one is sourced from PubChem (CID 116557172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).